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PDBsum entry 3ptg
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Transferase/transferase inhibitor
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PDB id
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3ptg
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Contents |
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* Residue conservation analysis
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PDB id:
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| Name: |
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Transferase/transferase inhibitor
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Title:
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Design and synthesis of a novel, orally efficacious tri-substituted thiophene based jnk inhibitor
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Structure:
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Mitogen-activated protein kinase 10. Chain: a. Fragment: unp residues 40-401. Synonym: map kinase 10, mapk 10, map kinase p49 3f12, stress- activated protein kinase jnk3, c-jun n-terminal kinase 3. Engineered: yes. C-jun-amino-terminal kinase-interacting protein 1. Chain: j. Fragment: unp residues 157-167.
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: mapk10, jnk3, jnk3a, prkm10. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Organism_taxid: 9606
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Resolution:
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2.43Å
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R-factor:
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0.248
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R-free:
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0.316
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Authors:
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S.Bowers,A.P.Truong,J.Neitz,M.Neitzel,G.D.Probst,R.K.Hom,A.W.Konradi, H.L.Sham,G.Toth,H.Pan,N.Yao,D.R.Artis,E.F.Brigham,K.P.Quinn,J.Sauer, K.Powell,L.Ruslim,F.Bard,T.A.Yednock,I.Griswold-Prenner
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Key ref:
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S.Bowers
et al.
(2011).
Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
Bioorg Med Chem Lett,
21,
1838-1843.
PubMed id:
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Date:
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02-Dec-10
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Release date:
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02-Mar-11
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PROCHECK
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Headers
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References
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P53779
(MK10_HUMAN) -
Mitogen-activated protein kinase 10 from Homo sapiens
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Seq:
Struc:
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464 a.a.
340 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.2.7.11.24
- mitogen-activated protein kinase.
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Reaction:
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1.
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L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H+
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2.
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H+
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L-seryl-[protein]
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+
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ATP
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=
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O-phospho-L-seryl-[protein]
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+
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ADP
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+
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H(+)
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L-threonyl-[protein]
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+
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ATP
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=
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O-phospho-L-threonyl-[protein]
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+
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ADP
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+
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H(+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Bioorg Med Chem Lett
21:1838-1843
(2011)
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PubMed id:
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Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
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S.Bowers,
A.P.Truong,
R.J.Neitz,
M.Neitzel,
G.D.Probst,
R.K.Hom,
B.Peterson,
R.A.Galemmo,
A.W.Konradi,
H.L.Sham,
G.Tóth,
H.Pan,
N.Yao,
D.R.Artis,
E.F.Brigham,
K.P.Quinn,
J.M.Sauer,
K.Powell,
L.Ruslim,
Z.Ren,
F.Bard,
T.A.Yednock,
I.Griswold-Prenner.
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ABSTRACT
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Links
